[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone

C17H16OS2 — CID 80734223

IUPAC[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H16OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11H,9H2,1-2H3
InChIKeyUOYHAWRJDRDIRP-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.39
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone

[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 80734223) has the molecular formula C17H16OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID80734223
Molecular FormulaC17H16OS2
Molecular Weight300.45 g/mol
Exact Mass300.06
IUPAC Name[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)c2cc3sccc3s2)cc1
InChIInChI=1S/C17H16OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11H,9H2,1-2H3
InChIKeyUOYHAWRJDRDIRP-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 80733768
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80744923
(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 115791579
N-(1-aminopropan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745015
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
(2S)-4-methyl-2-(thieno[3,2-b]thiophene-5-carbonylamino)pentanoic acid
CID 80733410
2-[2-methylpropyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733670
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
2-methyl-3-[methyl(thieno[3,2-b]thiophene-5-carbonyl)amino]propanoic acid
CID 80733667
(2-ethylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 114972399
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 80734223) is [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone is CC(C)Cc1ccc(C(=O)c2cc3sccc3s2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is UOYHAWRJDRDIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS2/c1-11(2)9-12-3-5-13(6-4-12)17(18)16-10-15-14(20-16)7-8-19-15/h3-8,10-11H,9H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone?
[4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 300.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 80734223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).